2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)

C26H22N2OPd — CID 162451616

About 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)

2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) (PubChem CID 162451616) has the molecular formula C26H22N2OPd and a molecular weight of 484.90 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+).

Molecular Properties

• Compound Name: 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
• PubChem CID: 162451616
• Molecular Formula: C26H22N2OPd
• Molecular Weight: 484.90 g/mol
• Exact Mass: 484.08
• IUPAC Name: 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c(-c2ccccn2)c1.[Pd+2]
• InChI: InChI=1S/C26H22N2O.Pd/c1-26(2,3)21-15-20(25-12-5-7-14-28-25)17-23(18-21)29-22-10-8-9-19(16-22)24-11-4-6-13-27-24;/h4-15,18H,1-3H3;/q-2;+2
• InChIKey: XAMOOZGGHHNKOL-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.90
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

The IUPAC name of 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) (CID 162451616) is 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+).

What is the SMILES notation for 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

The canonical SMILES for 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) is CC(C)(C)c1cc(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c(-c2ccccn2)c1.[Pd+2].

What is the InChIKey of 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

The InChIKey is XAMOOZGGHHNKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O.Pd/c1-26(2,3)21-15-20(25-12-5-7-14-28-25)17-23(18-21)29-22-10-8-9-19(16-22)24-11-4-6-13-27-24;/h4-15,18H,1-3H3;/q-2;+2.

What are the key properties of 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)?

2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) has a molecular weight of 484.90 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+) is sourced from PubChem (CID 162451616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).